USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 GLN :FLIP amide:sc= -0.349 F(o=-1.3,f=-0.39) USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -0.0428 X(o=-0.77,f=-0.39) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.24) USER MOD Single : A 1 ARG N :NH3+ -165:sc= 1.12 (180deg=0.504) USER MOD Single : A 5 GLN : amide:sc= 1.23 K(o=1.2,f=-7.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0161 USER MOD Single : A 15 MET CE :methyl 175:sc= -0.678 (180deg=-0.723) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.195 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 169:sc= -3.8! (180deg=-4.47!) USER MOD Single : A 40 GLN : amide:sc= 0.238 X(o=0.24,f=-0.0013) USER MOD Single : A 43 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 92:sc= 0.549 USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.61 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 34:sc= 0.188 USER MOD Single : A 80 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.0034) USER MOD Single : A 81 TYR OH : rot 35:sc= 1.26 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -11.952 10.260 14.546 1.00 1.75 N ATOM 2 CA ARG A 1 -12.028 8.781 14.710 1.00 1.74 C ATOM 3 C ARG A 1 -13.374 8.194 14.278 1.00 1.77 C ATOM 4 O ARG A 1 -13.442 7.354 13.371 1.00 1.74 O ATOM 5 CB ARG A 1 -11.611 8.367 16.142 1.00 1.77 C ATOM 6 CG ARG A 1 -11.464 6.847 16.357 1.00 1.77 C ATOM 7 CD ARG A 1 -12.714 6.211 16.980 1.00 1.83 C ATOM 8 NE ARG A 1 -12.587 4.748 17.057 1.00 1.84 N ATOM 9 CZ ARG A 1 -12.080 4.011 18.022 1.00 1.86 C ATOM 10 NH1 ARG A 1 -11.584 4.517 19.115 1.00 1.89 N ATOM 11 NH2 ARG A 1 -12.073 2.722 17.877 1.00 1.87 N ATOM 0 H1 ARG A 1 -10.960 10.566 14.608 1.00 1.75 H new ATOM 0 H2 ARG A 1 -12.339 10.527 13.618 1.00 1.75 H new ATOM 0 H3 ARG A 1 -12.504 10.721 15.297 1.00 1.75 H new ATOM 0 HA ARG A 1 -11.307 8.340 14.022 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -10.663 8.847 16.383 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -12.350 8.750 16.846 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -11.256 6.368 15.400 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -10.606 6.657 17.001 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -12.872 6.618 17.979 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -13.591 6.471 16.387 1.00 1.83 H new ATOM 0 HE ARG A 1 -12.941 4.233 16.251 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -11.577 5.528 19.252 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -11.202 3.902 19.834 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -12.455 2.302 17.030 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -11.686 2.128 18.610 1.00 1.87 H new ATOM 27 N ALA A 2 -14.456 8.595 14.954 1.00 1.84 N ATOM 28 CA ALA A 2 -15.762 7.948 14.797 1.00 1.89 C ATOM 29 C ALA A 2 -16.367 8.113 13.393 1.00 1.88 C ATOM 30 O ALA A 2 -16.952 7.173 12.861 1.00 1.89 O ATOM 31 CB ALA A 2 -16.704 8.489 15.880 1.00 1.97 C ATOM 0 H ALA A 2 -14.452 9.369 15.618 1.00 1.84 H new ATOM 0 HA ALA A 2 -15.623 6.873 14.916 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -17.682 8.019 15.779 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -16.293 8.265 16.864 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -16.807 9.568 15.767 1.00 1.97 H new ATOM 37 N ASP A 3 -16.179 9.277 12.768 1.00 1.87 N ATOM 38 CA ASP A 3 -16.680 9.530 11.411 1.00 1.88 C ATOM 39 C ASP A 3 -15.877 8.792 10.325 1.00 1.81 C ATOM 40 O ASP A 3 -16.463 8.356 9.338 1.00 1.82 O ATOM 41 CB ASP A 3 -16.663 11.043 11.161 1.00 1.90 C ATOM 42 CG ASP A 3 -17.368 11.424 9.849 1.00 1.92 C ATOM 43 OD1 ASP A 3 -18.607 11.244 9.755 1.00 1.98 O ATOM 44 OD2 ASP A 3 -16.698 11.950 8.928 1.00 1.89 O ATOM 0 H ASP A 3 -15.681 10.065 13.181 1.00 1.87 H new ATOM 0 HA ASP A 3 -17.696 9.141 11.347 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -17.149 11.552 11.993 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -15.631 11.393 11.132 1.00 1.90 H new ATOM 49 N GLU A 4 -14.571 8.567 10.539 1.00 1.74 N ATOM 50 CA GLU A 4 -13.768 7.752 9.616 1.00 1.68 C ATOM 51 C GLU A 4 -14.234 6.299 9.696 1.00 1.69 C ATOM 52 O GLU A 4 -14.509 5.673 8.674 1.00 1.68 O ATOM 53 CB GLU A 4 -12.273 7.829 9.959 1.00 1.62 C ATOM 54 CG GLU A 4 -11.691 9.250 9.934 1.00 1.61 C ATOM 55 CD GLU A 4 -11.658 9.868 11.342 1.00 1.65 C ATOM 56 OE1 GLU A 4 -12.721 10.248 11.888 1.00 1.71 O ATOM 57 OE2 GLU A 4 -10.571 9.929 11.960 1.00 1.62 O ATOM 0 H GLU A 4 -14.053 8.935 11.337 1.00 1.74 H new ATOM 0 HA GLU A 4 -13.905 8.139 8.606 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -12.117 7.403 10.950 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -11.718 7.209 9.255 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -10.682 9.224 9.523 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -12.289 9.878 9.273 1.00 1.61 H new ATOM 64 N GLN A 5 -14.421 5.784 10.919 1.00 1.72 N ATOM 65 CA GLN A 5 -14.965 4.436 11.091 1.00 1.75 C ATOM 66 C GLN A 5 -16.369 4.296 10.481 1.00 1.81 C ATOM 67 O GLN A 5 -16.598 3.371 9.703 1.00 1.81 O ATOM 68 CB GLN A 5 -14.924 3.983 12.556 1.00 1.78 C ATOM 69 CG GLN A 5 -13.480 3.702 13.022 1.00 1.73 C ATOM 70 CD GLN A 5 -13.412 2.543 14.012 1.00 1.77 C ATOM 71 OE1 GLN A 5 -13.262 2.716 15.215 1.00 1.80 O ATOM 72 NE2 GLN A 5 -13.524 1.316 13.552 1.00 1.77 N ATOM 0 H GLN A 5 -14.207 6.273 11.788 1.00 1.72 H new ATOM 0 HA GLN A 5 -14.315 3.761 10.535 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -15.368 4.752 13.188 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -15.528 3.084 12.677 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -12.858 3.476 12.156 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -13.068 4.599 13.485 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -13.649 1.156 12.553 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -13.485 0.525 14.195 1.00 1.77 H new ATOM 81 N ALA A 6 -17.281 5.241 10.723 1.00 1.86 N ATOM 82 CA ALA A 6 -18.600 5.252 10.088 1.00 1.92 C ATOM 83 C ALA A 6 -18.509 5.252 8.550 1.00 1.90 C ATOM 84 O ALA A 6 -19.121 4.402 7.894 1.00 1.92 O ATOM 85 CB ALA A 6 -19.394 6.455 10.614 1.00 1.98 C ATOM 0 H ALA A 6 -17.125 6.019 11.364 1.00 1.86 H new ATOM 0 HA ALA A 6 -19.124 4.333 10.350 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -20.379 6.473 10.147 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -19.506 6.372 11.695 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -18.862 7.375 10.374 1.00 1.98 H new ATOM 91 N PHE A 7 -17.689 6.129 7.956 1.00 1.85 N ATOM 92 CA PHE A 7 -17.527 6.173 6.502 1.00 1.83 C ATOM 93 C PHE A 7 -16.687 5.017 5.935 1.00 1.77 C ATOM 94 O PHE A 7 -16.814 4.727 4.740 1.00 1.78 O ATOM 95 CB PHE A 7 -17.121 7.581 6.018 1.00 1.82 C ATOM 96 CG PHE A 7 -15.657 8.009 5.982 1.00 1.75 C ATOM 97 CD1 PHE A 7 -14.742 7.381 5.113 1.00 1.69 C ATOM 98 CD2 PHE A 7 -15.252 9.178 6.660 1.00 1.75 C ATOM 99 CE1 PHE A 7 -13.444 7.890 4.952 1.00 1.63 C ATOM 100 CE2 PHE A 7 -13.946 9.679 6.514 1.00 1.69 C ATOM 101 CZ PHE A 7 -13.037 9.030 5.663 1.00 1.63 C ATOM 0 H PHE A 7 -17.129 6.816 8.462 1.00 1.85 H new ATOM 0 HA PHE A 7 -18.509 5.990 6.065 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -17.512 7.696 5.007 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -17.648 8.299 6.647 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -15.043 6.500 4.566 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -15.953 9.694 7.299 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -12.755 7.402 4.278 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -13.642 10.562 7.056 1.00 1.69 H new ATOM 0 HZ PHE A 7 -12.030 9.406 5.556 1.00 1.63 H new ATOM 111 N LEU A 8 -15.942 4.268 6.772 1.00 1.73 N ATOM 112 CA LEU A 8 -15.295 3.051 6.254 1.00 1.69 C ATOM 113 C LEU A 8 -16.170 1.809 6.478 1.00 1.75 C ATOM 114 O LEU A 8 -15.953 0.798 5.818 1.00 1.73 O ATOM 115 CB LEU A 8 -13.896 2.890 6.882 1.00 1.63 C ATOM 116 CG LEU A 8 -12.734 2.972 5.881 1.00 1.56 C ATOM 117 CD1 LEU A 8 -12.643 1.683 5.072 1.00 1.55 C ATOM 118 CD2 LEU A 8 -12.782 4.188 4.950 1.00 1.55 C ATOM 0 H LEU A 8 -15.779 4.470 7.758 1.00 1.73 H new ATOM 0 HA LEU A 8 -15.174 3.154 5.176 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -13.761 3.662 7.640 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -13.850 1.929 7.394 1.00 1.63 H new ATOM 0 HG LEU A 8 -11.834 3.102 6.482 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -11.815 1.754 4.366 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -12.475 0.842 5.745 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -13.574 1.530 4.526 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -11.924 4.165 4.278 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -13.702 4.163 4.366 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -12.754 5.102 5.543 1.00 1.55 H new ATOM 130 N VAL A 9 -17.190 1.878 7.346 1.00 1.81 N ATOM 131 CA VAL A 9 -18.239 0.841 7.408 1.00 1.87 C ATOM 132 C VAL A 9 -19.184 1.006 6.209 1.00 1.92 C ATOM 133 O VAL A 9 -19.571 0.018 5.576 1.00 1.94 O ATOM 134 CB VAL A 9 -18.994 0.887 8.754 1.00 1.93 C ATOM 135 CG1 VAL A 9 -20.276 0.038 8.762 1.00 2.01 C ATOM 136 CG2 VAL A 9 -18.096 0.345 9.876 1.00 1.91 C ATOM 0 H VAL A 9 -17.314 2.638 8.015 1.00 1.81 H new ATOM 0 HA VAL A 9 -17.777 -0.144 7.351 1.00 1.87 H new ATOM 0 HB VAL A 9 -19.262 1.932 8.906 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -20.757 0.115 9.737 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -20.957 0.400 7.992 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -20.024 -1.004 8.563 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -18.635 0.380 10.823 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -17.819 -0.686 9.655 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -17.196 0.955 9.948 1.00 1.91 H new ATOM 146 N ALA A 10 -19.483 2.251 5.824 1.00 1.93 N ATOM 147 CA ALA A 10 -20.186 2.535 4.573 1.00 1.97 C ATOM 148 C ALA A 10 -19.380 2.084 3.339 1.00 1.92 C ATOM 149 O ALA A 10 -19.938 1.404 2.468 1.00 1.96 O ATOM 150 CB ALA A 10 -20.515 4.032 4.523 1.00 1.99 C ATOM 0 H ALA A 10 -19.246 3.082 6.366 1.00 1.93 H new ATOM 0 HA ALA A 10 -21.112 1.961 4.547 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -21.040 4.258 3.595 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -21.148 4.294 5.371 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -19.591 4.609 4.568 1.00 1.99 H new ATOM 156 N LEU A 11 -18.064 2.376 3.286 1.00 1.84 N ATOM 157 CA LEU A 11 -17.208 1.781 2.254 1.00 1.80 C ATOM 158 C LEU A 11 -17.189 0.257 2.349 1.00 1.80 C ATOM 159 O LEU A 11 -17.297 -0.374 1.311 1.00 1.82 O ATOM 160 CB LEU A 11 -15.768 2.315 2.267 1.00 1.71 C ATOM 161 CG LEU A 11 -14.889 1.677 1.160 1.00 1.67 C ATOM 162 CD1 LEU A 11 -15.361 1.967 -0.265 1.00 1.71 C ATOM 163 CD2 LEU A 11 -13.463 2.197 1.264 1.00 1.59 C ATOM 0 H LEU A 11 -17.585 3.005 3.931 1.00 1.84 H new ATOM 0 HA LEU A 11 -17.656 2.080 1.307 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -15.784 3.397 2.136 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -15.320 2.119 3.241 1.00 1.71 H new ATOM 0 HG LEU A 11 -14.959 0.603 1.331 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -14.691 1.484 -0.976 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -16.371 1.581 -0.399 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -15.358 3.043 -0.437 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -12.853 1.744 0.483 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -13.461 3.280 1.143 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -13.052 1.940 2.240 1.00 1.59 H new ATOM 175 N TYR A 12 -17.079 -0.353 3.531 1.00 1.80 N ATOM 176 CA TYR A 12 -17.080 -1.814 3.672 1.00 1.81 C ATOM 177 C TYR A 12 -18.303 -2.445 3.003 1.00 1.89 C ATOM 178 O TYR A 12 -18.143 -3.390 2.225 1.00 1.89 O ATOM 179 CB TYR A 12 -16.976 -2.231 5.145 1.00 1.82 C ATOM 180 CG TYR A 12 -17.296 -3.692 5.410 1.00 1.86 C ATOM 181 CD1 TYR A 12 -16.555 -4.707 4.776 1.00 1.84 C ATOM 182 CD2 TYR A 12 -18.383 -4.033 6.243 1.00 1.94 C ATOM 183 CE1 TYR A 12 -16.903 -6.061 4.962 1.00 1.89 C ATOM 184 CE2 TYR A 12 -18.727 -5.383 6.440 1.00 1.99 C ATOM 185 CZ TYR A 12 -17.992 -6.402 5.795 1.00 1.96 C ATOM 186 OH TYR A 12 -18.333 -7.709 5.969 1.00 2.02 O ATOM 0 H TYR A 12 -16.987 0.148 4.415 1.00 1.80 H new ATOM 0 HA TYR A 12 -16.197 -2.190 3.156 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -15.966 -2.024 5.498 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -17.653 -1.611 5.734 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -15.717 -4.448 4.145 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -18.952 -3.256 6.731 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -16.337 -6.837 4.468 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -19.554 -5.640 7.085 1.00 1.99 H new ATOM 0 HH TYR A 12 -19.103 -7.769 6.572 1.00 2.02 H new ATOM 196 N LYS A 13 -19.501 -1.881 3.215 1.00 1.95 N ATOM 197 CA LYS A 13 -20.698 -2.308 2.479 1.00 2.03 C ATOM 198 C LYS A 13 -20.540 -2.093 0.973 1.00 2.02 C ATOM 199 O LYS A 13 -20.637 -3.074 0.227 1.00 2.05 O ATOM 200 CB LYS A 13 -21.944 -1.623 3.070 1.00 2.10 C ATOM 201 CG LYS A 13 -23.244 -2.163 2.450 1.00 2.18 C ATOM 202 CD LYS A 13 -24.508 -1.511 3.035 1.00 2.25 C ATOM 203 CE LYS A 13 -24.718 -1.868 4.513 1.00 2.27 C ATOM 204 NZ LYS A 13 -25.989 -1.300 5.037 1.00 2.34 N ATOM 0 H LYS A 13 -19.666 -1.132 3.887 1.00 1.95 H new ATOM 0 HA LYS A 13 -20.832 -3.383 2.601 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -21.965 -1.777 4.149 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -21.881 -0.548 2.902 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -23.222 -1.997 1.373 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -23.293 -3.241 2.605 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -24.436 -0.428 2.932 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -25.377 -1.829 2.460 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -24.728 -2.952 4.628 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -23.881 -1.492 5.101 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -26.099 -1.560 6.038 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -25.969 -0.264 4.949 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -26.789 -1.678 4.491 1.00 2.34 H new ATOM 218 N TYR A 14 -20.237 -0.876 0.504 1.00 2.00 N ATOM 219 CA TYR A 14 -20.037 -0.666 -0.937 1.00 2.00 C ATOM 220 C TYR A 14 -18.958 -1.545 -1.596 1.00 1.95 C ATOM 221 O TYR A 14 -19.177 -2.060 -2.689 1.00 1.99 O ATOM 222 CB TYR A 14 -19.734 0.823 -1.157 1.00 1.98 C ATOM 223 CG TYR A 14 -19.787 1.257 -2.608 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.035 1.506 -3.213 1.00 2.10 C ATOM 225 CD2 TYR A 14 -18.601 1.406 -3.356 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.103 1.897 -4.563 1.00 2.14 C ATOM 227 CE2 TYR A 14 -18.666 1.788 -4.711 1.00 1.99 C ATOM 228 CZ TYR A 14 -19.918 2.034 -5.317 1.00 2.09 C ATOM 229 OH TYR A 14 -19.977 2.370 -6.635 1.00 2.13 O ATOM 0 H TYR A 14 -20.127 -0.043 1.082 1.00 2.00 H new ATOM 0 HA TYR A 14 -20.958 -0.975 -1.431 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -20.447 1.416 -0.585 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -18.744 1.044 -0.759 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -21.943 1.396 -2.638 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -17.643 1.227 -2.891 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.061 2.092 -5.022 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -17.758 1.893 -5.286 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.069 2.422 -7.000 1.00 2.13 H new ATOM 239 N MET A 15 -17.812 -1.767 -0.945 1.00 1.88 N ATOM 240 CA MET A 15 -16.716 -2.557 -1.502 1.00 1.83 C ATOM 241 C MET A 15 -17.010 -4.063 -1.447 1.00 1.86 C ATOM 242 O MET A 15 -16.626 -4.786 -2.367 1.00 1.86 O ATOM 243 CB MET A 15 -15.359 -2.145 -0.921 1.00 1.74 C ATOM 244 CG MET A 15 -15.074 -2.615 0.504 1.00 1.72 C ATOM 245 SD MET A 15 -13.633 -1.838 1.294 1.00 1.62 S ATOM 246 CE MET A 15 -12.346 -2.042 0.029 1.00 1.57 C ATOM 0 H MET A 15 -17.620 -1.401 -0.013 1.00 1.88 H new ATOM 0 HA MET A 15 -16.641 -2.328 -2.565 1.00 1.83 H new ATOM 0 HB2 MET A 15 -14.575 -2.529 -1.573 1.00 1.74 H new ATOM 0 HB3 MET A 15 -15.290 -1.057 -0.945 1.00 1.74 H new ATOM 0 HG2 MET A 15 -15.954 -2.422 1.117 1.00 1.72 H new ATOM 0 HG3 MET A 15 -14.925 -3.695 0.492 1.00 1.72 H new ATOM 0 HE1 MET A 15 -11.437 -1.532 0.349 1.00 1.57 H new ATOM 0 HE2 MET A 15 -12.137 -3.103 -0.109 1.00 1.57 H new ATOM 0 HE3 MET A 15 -12.690 -1.614 -0.913 1.00 1.57 H new ATOM 256 N LYS A 16 -17.775 -4.547 -0.451 1.00 1.90 N ATOM 257 CA LYS A 16 -18.312 -5.919 -0.473 1.00 1.96 C ATOM 258 C LYS A 16 -19.298 -6.112 -1.634 1.00 2.03 C ATOM 259 O LYS A 16 -19.230 -7.121 -2.333 1.00 2.05 O ATOM 260 CB LYS A 16 -18.923 -6.244 0.899 1.00 1.99 C ATOM 261 CG LYS A 16 -19.361 -7.711 1.009 1.00 2.05 C ATOM 262 CD LYS A 16 -19.469 -8.139 2.478 1.00 2.07 C ATOM 263 CE LYS A 16 -19.956 -9.589 2.571 1.00 2.13 C ATOM 264 NZ LYS A 16 -19.746 -10.136 3.934 1.00 2.15 N ATOM 0 H LYS A 16 -18.034 -4.010 0.376 1.00 1.90 H new ATOM 0 HA LYS A 16 -17.505 -6.629 -0.654 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -18.194 -6.025 1.680 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -19.782 -5.597 1.074 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -20.323 -7.846 0.515 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -18.644 -8.349 0.492 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -18.499 -8.041 2.965 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -20.159 -7.481 3.007 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -21.014 -9.638 2.315 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -19.424 -10.202 1.844 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -20.100 -11.113 3.974 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -18.731 -10.126 4.160 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -20.260 -9.553 4.625 1.00 2.15 H new ATOM 278 N GLU A 17 -20.110 -5.093 -1.927 1.00 2.07 N ATOM 279 CA GLU A 17 -20.942 -5.056 -3.152 1.00 2.13 C ATOM 280 C GLU A 17 -20.122 -4.830 -4.456 1.00 2.10 C ATOM 281 O GLU A 17 -20.687 -4.802 -5.552 1.00 2.16 O ATOM 282 CB GLU A 17 -22.034 -3.985 -2.953 1.00 2.18 C ATOM 283 CG GLU A 17 -23.265 -4.173 -3.850 1.00 2.27 C ATOM 284 CD GLU A 17 -24.390 -3.196 -3.457 1.00 2.33 C ATOM 285 OE1 GLU A 17 -24.439 -2.065 -4.001 1.00 2.34 O ATOM 286 OE2 GLU A 17 -25.246 -3.555 -2.612 1.00 2.37 O ATOM 0 H GLU A 17 -20.215 -4.271 -1.332 1.00 2.07 H new ATOM 0 HA GLU A 17 -21.399 -6.035 -3.294 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -22.352 -3.995 -1.911 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -21.604 -3.002 -3.146 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -22.988 -4.013 -4.892 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -23.625 -5.199 -3.769 1.00 2.27 H new ATOM 293 N ARG A 18 -18.790 -4.693 -4.348 1.00 2.02 N ATOM 294 CA ARG A 18 -17.879 -4.599 -5.514 1.00 1.99 C ATOM 295 C ARG A 18 -16.847 -5.744 -5.549 1.00 1.95 C ATOM 296 O ARG A 18 -15.812 -5.635 -6.210 1.00 1.90 O ATOM 297 CB ARG A 18 -17.257 -3.180 -5.603 1.00 1.94 C ATOM 298 CG ARG A 18 -18.079 -2.205 -6.467 1.00 2.01 C ATOM 299 CD ARG A 18 -19.318 -1.627 -5.773 1.00 2.06 C ATOM 300 NE ARG A 18 -20.188 -0.923 -6.732 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.202 -1.435 -7.410 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.574 -2.680 -7.301 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.871 -0.685 -8.238 1.00 2.28 N ATOM 0 H ARG A 18 -18.308 -4.644 -3.450 1.00 2.02 H new ATOM 0 HA ARG A 18 -18.465 -4.738 -6.422 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.160 -2.770 -4.598 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.250 -3.258 -6.014 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.435 -1.382 -6.776 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.394 -2.721 -7.374 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -19.877 -2.430 -5.293 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.009 -0.939 -4.986 1.00 2.06 H new ATOM 0 HE ARG A 18 -19.987 0.064 -6.890 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.076 -3.308 -6.670 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.363 -3.026 -7.847 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.613 0.294 -8.362 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -22.653 -1.076 -8.762 1.00 2.28 H new ATOM 317 N LYS A 19 -17.130 -6.861 -4.857 1.00 1.97 N ATOM 318 CA LYS A 19 -16.334 -8.109 -4.811 1.00 1.95 C ATOM 319 C LYS A 19 -14.942 -7.889 -4.204 1.00 1.86 C ATOM 320 O LYS A 19 -14.016 -8.678 -4.420 1.00 1.84 O ATOM 321 CB LYS A 19 -16.304 -8.801 -6.194 1.00 1.99 C ATOM 322 CG LYS A 19 -17.709 -9.079 -6.756 1.00 2.09 C ATOM 323 CD LYS A 19 -17.632 -9.786 -8.115 1.00 2.13 C ATOM 324 CE LYS A 19 -19.043 -10.016 -8.673 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.006 -10.677 -10.003 1.00 2.27 N ATOM 0 H LYS A 19 -17.968 -6.925 -4.280 1.00 1.97 H new ATOM 0 HA LYS A 19 -16.833 -8.800 -4.132 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -15.755 -8.174 -6.896 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -15.758 -9.741 -6.112 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -18.269 -9.696 -6.053 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -18.254 -8.141 -6.861 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.050 -9.185 -8.814 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -17.115 -10.740 -8.008 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -19.614 -10.630 -7.977 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -19.562 -9.061 -8.755 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -19.977 -10.816 -10.349 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -18.482 -10.079 -10.673 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -18.533 -11.599 -9.919 1.00 2.27 H new ATOM 339 N THR A 20 -14.822 -6.820 -3.411 1.00 1.82 N ATOM 340 CA THR A 20 -13.551 -6.413 -2.814 1.00 1.73 C ATOM 341 C THR A 20 -13.737 -6.031 -1.333 1.00 1.72 C ATOM 342 O THR A 20 -13.429 -4.905 -0.955 1.00 1.68 O ATOM 343 CB THR A 20 -12.878 -5.287 -3.642 1.00 1.69 C ATOM 344 OG1 THR A 20 -12.910 -5.575 -5.025 1.00 1.72 O ATOM 345 CG2 THR A 20 -11.394 -5.100 -3.310 1.00 1.61 C ATOM 0 H THR A 20 -15.605 -6.214 -3.166 1.00 1.82 H new ATOM 0 HA THR A 20 -12.870 -7.264 -2.837 1.00 1.73 H new ATOM 0 HB THR A 20 -13.446 -4.392 -3.389 1.00 1.69 H new ATOM 0 HG1 THR A 20 -13.833 -5.519 -5.350 1.00 1.72 H new ATOM 0 HG21 THR A 20 -10.982 -4.298 -3.923 1.00 1.61 H new ATOM 0 HG22 THR A 20 -11.286 -4.843 -2.256 1.00 1.61 H new ATOM 0 HG23 THR A 20 -10.856 -6.026 -3.514 1.00 1.61 H new ATOM 353 N PRO A 21 -14.298 -6.910 -0.474 1.00 1.76 N ATOM 354 CA PRO A 21 -14.530 -6.603 0.942 1.00 1.76 C ATOM 355 C PRO A 21 -13.222 -6.429 1.735 1.00 1.69 C ATOM 356 O PRO A 21 -12.182 -6.975 1.369 1.00 1.66 O ATOM 357 CB PRO A 21 -15.340 -7.792 1.474 1.00 1.84 C ATOM 358 CG PRO A 21 -14.881 -8.956 0.600 1.00 1.85 C ATOM 359 CD PRO A 21 -14.689 -8.286 -0.758 1.00 1.82 C ATOM 0 HA PRO A 21 -15.053 -5.653 1.054 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -15.136 -7.977 2.529 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -16.412 -7.620 1.383 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -13.957 -9.401 0.968 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -15.624 -9.752 0.559 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -13.923 -8.797 -1.341 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -15.608 -8.318 -1.343 1.00 1.82 H new ATOM 367 N ILE A 22 -13.293 -5.765 2.894 1.00 1.68 N ATOM 368 CA ILE A 22 -12.166 -5.736 3.863 1.00 1.64 C ATOM 369 C ILE A 22 -11.804 -7.167 4.341 1.00 1.67 C ATOM 370 O ILE A 22 -10.670 -7.452 4.712 1.00 1.64 O ATOM 371 CB ILE A 22 -12.500 -4.747 5.013 1.00 1.64 C ATOM 372 CG1 ILE A 22 -12.613 -3.321 4.435 1.00 1.61 C ATOM 373 CG2 ILE A 22 -11.453 -4.788 6.143 1.00 1.61 C ATOM 374 CD1 ILE A 22 -13.018 -2.238 5.440 1.00 1.62 C ATOM 0 H ILE A 22 -14.113 -5.238 3.193 1.00 1.68 H new ATOM 0 HA ILE A 22 -11.263 -5.364 3.379 1.00 1.64 H new ATOM 0 HB ILE A 22 -13.450 -5.049 5.455 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -11.653 -3.047 3.997 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -13.341 -3.332 3.624 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -11.731 -4.079 6.923 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -11.411 -5.793 6.564 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -10.475 -4.521 5.743 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -13.069 -1.274 4.935 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -13.994 -2.479 5.861 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -12.279 -2.190 6.240 1.00 1.62 H new ATOM 386 N GLU A 23 -12.770 -8.085 4.223 1.00 1.74 N ATOM 387 CA GLU A 23 -12.535 -9.534 4.390 1.00 1.78 C ATOM 388 C GLU A 23 -11.415 -10.133 3.493 1.00 1.75 C ATOM 389 O GLU A 23 -10.959 -11.245 3.775 1.00 1.78 O ATOM 390 CB GLU A 23 -13.846 -10.319 4.210 1.00 1.87 C ATOM 391 CG GLU A 23 -14.919 -9.930 5.234 1.00 1.91 C ATOM 392 CD GLU A 23 -16.154 -10.839 5.106 1.00 2.00 C ATOM 393 OE1 GLU A 23 -17.030 -10.557 4.255 1.00 2.02 O ATOM 394 OE2 GLU A 23 -16.259 -11.842 5.854 1.00 2.06 O ATOM 0 H GLU A 23 -13.739 -7.850 4.009 1.00 1.74 H new ATOM 0 HA GLU A 23 -12.167 -9.642 5.410 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -14.231 -10.148 3.205 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -13.640 -11.386 4.295 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -14.510 -10.005 6.242 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -15.210 -8.890 5.085 1.00 1.91 H new ATOM 401 N ARG A 24 -10.914 -9.415 2.465 1.00 1.69 N ATOM 402 CA ARG A 24 -9.717 -9.780 1.663 1.00 1.65 C ATOM 403 C ARG A 24 -8.518 -8.823 1.845 1.00 1.57 C ATOM 404 O ARG A 24 -7.542 -8.902 1.097 1.00 1.53 O ATOM 405 CB ARG A 24 -10.105 -10.033 0.187 1.00 1.67 C ATOM 406 CG ARG A 24 -10.143 -8.793 -0.730 1.00 1.62 C ATOM 407 CD ARG A 24 -10.817 -9.082 -2.081 1.00 1.67 C ATOM 408 NE ARG A 24 -10.059 -10.048 -2.900 1.00 1.67 N ATOM 409 CZ ARG A 24 -10.418 -10.548 -4.072 1.00 1.72 C ATOM 410 NH1 ARG A 24 -11.538 -10.242 -4.668 1.00 1.77 N ATOM 411 NH2 ARG A 24 -9.633 -11.387 -4.685 1.00 1.72 N ATOM 0 H ARG A 24 -11.340 -8.540 2.158 1.00 1.69 H new ATOM 0 HA ARG A 24 -9.341 -10.722 2.062 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -9.400 -10.749 -0.235 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -11.088 -10.504 0.167 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -10.677 -7.988 -0.226 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -9.126 -8.441 -0.903 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -11.821 -9.469 -1.906 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -10.927 -8.150 -2.635 1.00 1.67 H new ATOM 0 HE ARG A 24 -9.165 -10.363 -2.524 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -12.186 -9.588 -4.230 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -11.765 -10.657 -5.572 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -8.745 -11.657 -4.262 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -9.906 -11.774 -5.588 1.00 1.72 H new ATOM 425 N ILE A 25 -8.571 -7.948 2.853 1.00 1.55 N ATOM 426 CA ILE A 25 -7.577 -6.909 3.185 1.00 1.48 C ATOM 427 C ILE A 25 -7.211 -7.042 4.685 1.00 1.49 C ATOM 428 O ILE A 25 -7.695 -6.276 5.525 1.00 1.50 O ATOM 429 CB ILE A 25 -8.093 -5.492 2.811 1.00 1.45 C ATOM 430 CG1 ILE A 25 -8.745 -5.422 1.407 1.00 1.46 C ATOM 431 CG2 ILE A 25 -6.905 -4.515 2.881 1.00 1.37 C ATOM 432 CD1 ILE A 25 -9.346 -4.053 1.066 1.00 1.45 C ATOM 0 H ILE A 25 -9.357 -7.941 3.503 1.00 1.55 H new ATOM 0 HA ILE A 25 -6.672 -7.053 2.594 1.00 1.48 H new ATOM 0 HB ILE A 25 -8.876 -5.226 3.521 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -7.996 -5.676 0.657 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -9.528 -6.177 1.343 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -7.243 -3.512 2.622 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -6.497 -4.511 3.892 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -6.133 -4.830 2.179 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -9.783 -4.086 0.068 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -10.120 -3.804 1.792 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -8.564 -3.295 1.095 1.00 1.45 H new ATOM 444 N PRO A 26 -6.495 -8.118 5.051 1.00 1.53 N ATOM 445 CA PRO A 26 -6.237 -8.462 6.461 1.00 1.57 C ATOM 446 C PRO A 26 -5.471 -7.449 7.310 1.00 1.52 C ATOM 447 O PRO A 26 -5.989 -7.005 8.336 1.00 1.50 O ATOM 448 CB PRO A 26 -5.492 -9.801 6.373 1.00 1.62 C ATOM 449 CG PRO A 26 -4.899 -9.827 5.011 1.00 1.59 C ATOM 450 CD PRO A 26 -5.854 -9.073 4.128 1.00 1.55 C ATOM 0 HA PRO A 26 -7.186 -8.490 6.996 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -4.721 -9.874 7.140 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -6.171 -10.640 6.523 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -3.913 -9.362 5.006 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -4.770 -10.851 4.661 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -5.333 -8.561 3.319 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -6.585 -9.738 3.667 1.00 1.55 H new ATOM 458 N TYR A 27 -4.257 -7.083 6.920 1.00 1.52 N ATOM 459 CA TYR A 27 -3.465 -6.173 7.744 1.00 1.49 C ATOM 460 C TYR A 27 -2.821 -5.021 6.964 1.00 1.38 C ATOM 461 O TYR A 27 -3.151 -4.733 5.816 1.00 1.34 O ATOM 462 CB TYR A 27 -2.330 -6.968 8.420 1.00 1.61 C ATOM 463 CG TYR A 27 -2.728 -8.259 9.113 1.00 1.65 C ATOM 464 CD1 TYR A 27 -2.741 -9.472 8.426 1.00 1.76 C ATOM 465 CD2 TYR A 27 -3.057 -8.273 10.464 1.00 1.91 C ATOM 466 CE1 TYR A 27 -3.075 -10.653 9.065 1.00 2.09 C ATOM 467 CE2 TYR A 27 -3.385 -9.452 11.109 1.00 2.21 C ATOM 468 CZ TYR A 27 -3.394 -10.636 10.405 1.00 2.29 C ATOM 469 OH TYR A 27 -3.716 -11.809 11.045 1.00 2.75 O ATOM 0 H TYR A 27 -3.805 -7.392 6.059 1.00 1.52 H new ATOM 0 HA TYR A 27 -4.159 -5.735 8.461 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -1.581 -7.203 7.664 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -1.850 -6.321 9.154 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -2.486 -9.490 7.377 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -3.056 -7.347 11.020 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -3.086 -11.583 8.516 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -3.633 -9.444 12.160 1.00 2.21 H new ATOM 0 HH TYR A 27 -3.914 -11.624 11.987 1.00 2.75 H new ATOM 479 N LEU A 28 -1.912 -4.369 7.687 1.00 1.39 N ATOM 480 CA LEU A 28 -1.044 -3.279 7.235 1.00 1.35 C ATOM 481 C LEU A 28 0.322 -3.937 7.080 1.00 1.35 C ATOM 482 O LEU A 28 0.482 -5.025 7.601 1.00 1.38 O ATOM 483 CB LEU A 28 -1.005 -2.175 8.306 1.00 1.42 C ATOM 484 CG LEU A 28 -0.577 -0.770 7.872 1.00 1.37 C ATOM 485 CD1 LEU A 28 -1.703 -0.087 7.105 1.00 1.58 C ATOM 486 CD2 LEU A 28 -0.190 0.046 9.101 1.00 1.77 C ATOM 0 H LEU A 28 -1.751 -4.602 8.667 1.00 1.39 H new ATOM 0 HA LEU A 28 -1.381 -2.810 6.311 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -2.000 -2.101 8.746 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -0.330 -2.501 9.097 1.00 1.42 H new ATOM 0 HG LEU A 28 0.286 -0.844 7.211 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -1.385 0.911 6.803 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -1.948 -0.673 6.219 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -2.583 -0.009 7.743 1.00 1.58 H new ATOM 0 HD21 LEU A 28 0.115 1.046 8.793 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -1.045 0.118 9.774 1.00 1.77 H new ATOM 0 HD23 LEU A 28 0.637 -0.442 9.616 1.00 1.77 H new ATOM 583 N ASN A 34 -6.126 -0.723 10.249 1.00 1.56 N ATOM 584 CA ASN A 34 -6.428 0.586 10.878 1.00 1.58 C ATOM 585 C ASN A 34 -6.442 1.733 9.850 1.00 1.57 C ATOM 586 O ASN A 34 -5.472 2.484 9.725 1.00 1.91 O ATOM 587 CB ASN A 34 -5.416 0.876 11.990 1.00 1.60 C ATOM 588 CG ASN A 34 -5.627 -0.010 13.202 1.00 1.73 C ATOM 589 OD1 ASN A 34 -6.401 0.318 14.103 1.00 2.14 O ATOM 590 ND2 ASN A 34 -4.934 -1.141 13.230 1.00 2.10 N ATOM 0 HA ASN A 34 -7.429 0.526 11.305 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -4.406 0.730 11.607 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -5.496 1.921 12.288 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -5.031 -1.779 14.020 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -4.304 -1.372 12.462 1.00 2.10 H new ATOM 597 N LEU A 35 -7.555 1.864 9.126 1.00 1.38 N ATOM 598 CA LEU A 35 -7.686 2.875 8.064 1.00 1.34 C ATOM 599 C LEU A 35 -7.548 4.324 8.547 1.00 1.32 C ATOM 600 O LEU A 35 -6.707 5.061 8.037 1.00 1.28 O ATOM 601 CB LEU A 35 -9.028 2.698 7.340 1.00 1.40 C ATOM 602 CG LEU A 35 -9.232 3.541 6.068 1.00 1.43 C ATOM 603 CD1 LEU A 35 -9.712 4.946 6.408 1.00 1.47 C ATOM 604 CD2 LEU A 35 -7.956 3.606 5.237 1.00 1.52 C ATOM 0 H LEU A 35 -8.384 1.283 9.253 1.00 1.38 H new ATOM 0 HA LEU A 35 -6.850 2.703 7.385 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -9.138 1.646 7.075 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -9.829 2.936 8.040 1.00 1.40 H new ATOM 0 HG LEU A 35 -10.003 3.049 5.474 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -9.847 5.517 5.489 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -10.661 4.887 6.941 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -8.972 5.441 7.037 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -8.133 4.208 4.346 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -7.159 4.058 5.828 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -7.662 2.599 4.942 1.00 1.52 H new ATOM 616 N TRP A 36 -8.397 4.738 9.492 1.00 1.37 N ATOM 617 CA TRP A 36 -8.389 6.122 10.008 1.00 1.37 C ATOM 618 C TRP A 36 -6.983 6.615 10.390 1.00 1.32 C ATOM 619 O TRP A 36 -6.684 7.802 10.279 1.00 1.31 O ATOM 620 CB TRP A 36 -9.352 6.255 11.197 1.00 1.45 C ATOM 621 CG TRP A 36 -9.141 5.238 12.279 1.00 1.50 C ATOM 622 CD1 TRP A 36 -9.492 3.918 12.245 1.00 1.55 C ATOM 623 CD2 TRP A 36 -8.547 5.462 13.562 1.00 1.53 C ATOM 624 NE1 TRP A 36 -9.136 3.305 13.420 1.00 1.61 N ATOM 625 CE2 TRP A 36 -8.555 4.231 14.246 1.00 1.60 C ATOM 626 CE3 TRP A 36 -8.005 6.582 14.198 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -8.041 4.092 15.532 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -7.494 6.441 15.473 1.00 1.61 C ATOM 629 CH2 TRP A 36 -7.515 5.205 16.128 1.00 1.66 C ATOM 0 H TRP A 36 -9.102 4.138 9.920 1.00 1.37 H new ATOM 0 HA TRP A 36 -8.729 6.762 9.194 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -9.246 7.252 11.626 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -10.376 6.172 10.831 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -9.979 3.428 11.414 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -9.280 2.320 13.642 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -7.986 7.541 13.701 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -8.057 3.140 16.041 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -7.071 7.300 15.973 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -7.107 5.128 17.125 1.00 1.66 H new ATOM 640 N THR A 37 -6.143 5.692 10.839 1.00 1.32 N ATOM 641 CA THR A 37 -4.749 5.977 11.236 1.00 1.29 C ATOM 642 C THR A 37 -3.831 6.202 10.033 1.00 1.23 C ATOM 643 O THR A 37 -3.139 7.218 9.999 1.00 1.21 O ATOM 644 CB THR A 37 -4.174 4.858 12.122 1.00 1.34 C ATOM 645 OG1 THR A 37 -4.947 4.724 13.294 1.00 1.41 O ATOM 646 CG2 THR A 37 -2.746 5.135 12.594 1.00 1.35 C ATOM 0 H THR A 37 -6.402 4.711 10.943 1.00 1.32 H new ATOM 0 HA THR A 37 -4.785 6.903 11.810 1.00 1.29 H new ATOM 0 HB THR A 37 -4.187 3.962 11.501 1.00 1.34 H new ATOM 0 HG1 THR A 37 -4.575 4.009 13.851 1.00 1.41 H new ATOM 0 HG21 THR A 37 -2.401 4.308 13.214 1.00 1.35 H new ATOM 0 HG22 THR A 37 -2.091 5.239 11.729 1.00 1.35 H new ATOM 0 HG23 THR A 37 -2.727 6.057 13.176 1.00 1.35 H new ATOM 654 N MET A 38 -3.829 5.327 9.016 1.00 1.20 N ATOM 655 CA MET A 38 -3.044 5.595 7.790 1.00 1.15 C ATOM 656 C MET A 38 -3.538 6.849 7.046 1.00 1.13 C ATOM 657 O MET A 38 -2.740 7.558 6.437 1.00 1.11 O ATOM 658 CB MET A 38 -2.961 4.378 6.849 1.00 1.14 C ATOM 659 CG MET A 38 -4.306 3.856 6.341 1.00 1.17 C ATOM 660 SD MET A 38 -4.215 2.960 4.766 1.00 1.17 S ATOM 661 CE MET A 38 -4.952 1.364 5.211 1.00 1.25 C ATOM 0 H MET A 38 -4.346 4.448 9.010 1.00 1.20 H new ATOM 0 HA MET A 38 -2.027 5.794 8.129 1.00 1.15 H new ATOM 0 HB2 MET A 38 -2.345 4.644 5.990 1.00 1.14 H new ATOM 0 HB3 MET A 38 -2.449 3.569 7.371 1.00 1.14 H new ATOM 0 HG2 MET A 38 -4.735 3.197 7.096 1.00 1.17 H new ATOM 0 HG3 MET A 38 -4.989 4.698 6.227 1.00 1.17 H new ATOM 0 HE1 MET A 38 -5.141 0.786 4.307 1.00 1.25 H new ATOM 0 HE2 MET A 38 -4.267 0.814 5.857 1.00 1.25 H new ATOM 0 HE3 MET A 38 -5.891 1.531 5.738 1.00 1.25 H new ATOM 671 N PHE A 39 -4.836 7.155 7.156 1.00 1.17 N ATOM 672 CA PHE A 39 -5.397 8.405 6.647 1.00 1.19 C ATOM 673 C PHE A 39 -4.832 9.630 7.366 1.00 1.20 C ATOM 674 O PHE A 39 -4.186 10.453 6.720 1.00 1.20 O ATOM 675 CB PHE A 39 -6.925 8.383 6.709 1.00 1.25 C ATOM 676 CG PHE A 39 -7.541 9.685 6.225 1.00 1.30 C ATOM 677 CD1 PHE A 39 -7.402 10.064 4.875 1.00 1.30 C ATOM 678 CD2 PHE A 39 -8.207 10.538 7.125 1.00 1.36 C ATOM 679 CE1 PHE A 39 -7.939 11.280 4.422 1.00 1.37 C ATOM 680 CE2 PHE A 39 -8.731 11.763 6.675 1.00 1.43 C ATOM 681 CZ PHE A 39 -8.594 12.136 5.326 1.00 1.44 C ATOM 0 H PHE A 39 -5.522 6.544 7.599 1.00 1.17 H new ATOM 0 HA PHE A 39 -5.098 8.488 5.602 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -7.299 7.559 6.102 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -7.242 8.193 7.734 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -6.880 9.417 4.186 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -8.316 10.252 8.161 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -7.849 11.557 3.382 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -9.239 12.418 7.367 1.00 1.43 H new ATOM 0 HZ PHE A 39 -8.992 13.080 4.984 1.00 1.44 H new ATOM 691 N GLN A 40 -5.004 9.761 8.690 1.00 1.24 N ATOM 692 CA GLN A 40 -4.461 10.941 9.391 1.00 1.27 C ATOM 693 C GLN A 40 -2.923 11.026 9.314 1.00 1.25 C ATOM 694 O GLN A 40 -2.376 12.129 9.281 1.00 1.28 O ATOM 695 CB GLN A 40 -4.994 11.009 10.833 1.00 1.33 C ATOM 696 CG GLN A 40 -4.363 9.967 11.766 1.00 1.33 C ATOM 697 CD GLN A 40 -5.170 9.765 13.041 1.00 1.39 C ATOM 698 OE1 GLN A 40 -4.856 10.276 14.108 1.00 1.44 O ATOM 699 NE2 GLN A 40 -6.233 8.993 12.975 1.00 1.40 N ATOM 0 H GLN A 40 -5.496 9.092 9.282 1.00 1.24 H new ATOM 0 HA GLN A 40 -4.820 11.828 8.869 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -4.808 12.005 11.235 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -6.075 10.867 10.820 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -4.277 9.017 11.239 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -3.352 10.280 12.025 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -6.498 8.565 12.088 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -6.792 8.822 13.811 1.00 1.40 H new ATOM 708 N ALA A 41 -2.225 9.889 9.193 1.00 1.21 N ATOM 709 CA ALA A 41 -0.797 9.852 8.888 1.00 1.20 C ATOM 710 C ALA A 41 -0.496 10.449 7.505 1.00 1.18 C ATOM 711 O ALA A 41 0.294 11.386 7.407 1.00 1.21 O ATOM 712 CB ALA A 41 -0.293 8.410 9.004 1.00 1.18 C ATOM 0 H ALA A 41 -2.642 8.965 9.306 1.00 1.21 H new ATOM 0 HA ALA A 41 -0.266 10.471 9.611 1.00 1.20 H new ATOM 0 HB1 ALA A 41 0.773 8.378 8.777 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -0.459 8.047 10.018 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -0.833 7.778 8.299 1.00 1.18 H new ATOM 718 N ALA A 42 -1.166 9.992 6.443 1.00 1.14 N ATOM 719 CA ALA A 42 -1.028 10.568 5.106 1.00 1.14 C ATOM 720 C ALA A 42 -1.356 12.070 5.074 1.00 1.20 C ATOM 721 O ALA A 42 -0.651 12.830 4.422 1.00 1.23 O ATOM 722 CB ALA A 42 -1.902 9.785 4.119 1.00 1.11 C ATOM 0 H ALA A 42 -1.820 9.211 6.488 1.00 1.14 H new ATOM 0 HA ALA A 42 0.017 10.482 4.809 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -1.799 10.214 3.122 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -1.584 8.742 4.100 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -2.944 9.841 4.432 1.00 1.11 H new ATOM 728 N GLN A 43 -2.365 12.514 5.832 1.00 1.23 N ATOM 729 CA GLN A 43 -2.742 13.932 5.893 1.00 1.31 C ATOM 730 C GLN A 43 -1.685 14.792 6.617 1.00 1.35 C ATOM 731 O GLN A 43 -1.560 15.983 6.323 1.00 1.42 O ATOM 732 CB GLN A 43 -4.132 14.099 6.530 1.00 1.35 C ATOM 733 CG GLN A 43 -5.279 13.495 5.692 1.00 1.35 C ATOM 734 CD GLN A 43 -5.362 14.039 4.263 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.330 15.237 4.014 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.452 13.185 3.265 1.00 1.35 N ATOM 0 H GLN A 43 -2.940 11.907 6.416 1.00 1.23 H new ATOM 0 HA GLN A 43 -2.788 14.297 4.867 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -4.129 13.631 7.514 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -4.326 15.161 6.682 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -5.154 12.413 5.651 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -6.225 13.687 6.198 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -5.480 12.183 3.452 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.494 13.526 2.304 1.00 1.35 H new ATOM 745 N LYS A 44 -0.879 14.177 7.496 1.00 1.33 N ATOM 746 CA LYS A 44 0.281 14.848 8.106 1.00 1.39 C ATOM 747 C LYS A 44 1.465 14.874 7.139 1.00 1.39 C ATOM 748 O LYS A 44 2.057 15.930 6.915 1.00 1.45 O ATOM 749 CB LYS A 44 0.622 14.136 9.426 1.00 1.39 C ATOM 750 CG LYS A 44 1.652 14.911 10.259 1.00 1.47 C ATOM 751 CD LYS A 44 2.088 14.150 11.519 1.00 1.49 C ATOM 752 CE LYS A 44 0.903 13.766 12.416 1.00 1.49 C ATOM 753 NZ LYS A 44 1.373 13.185 13.698 1.00 1.53 N ATOM 0 H LYS A 44 -1.009 13.213 7.802 1.00 1.33 H new ATOM 0 HA LYS A 44 0.041 15.889 8.324 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -0.289 14.004 10.010 1.00 1.39 H new ATOM 0 HB3 LYS A 44 1.009 13.140 9.209 1.00 1.39 H new ATOM 0 HG2 LYS A 44 2.528 15.120 9.644 1.00 1.47 H new ATOM 0 HG3 LYS A 44 1.229 15.873 10.549 1.00 1.47 H new ATOM 0 HD2 LYS A 44 2.625 13.248 11.226 1.00 1.49 H new ATOM 0 HD3 LYS A 44 2.785 14.765 12.088 1.00 1.49 H new ATOM 0 HE2 LYS A 44 0.292 14.647 12.614 1.00 1.49 H new ATOM 0 HE3 LYS A 44 0.268 13.047 11.898 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 0.553 12.934 14.286 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 1.936 12.332 13.507 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 1.959 13.882 14.201 1.00 1.53 H new ATOM 767 N LEU A 45 1.740 13.729 6.509 1.00 1.32 N ATOM 768 CA LEU A 45 2.751 13.627 5.449 1.00 1.32 C ATOM 769 C LEU A 45 2.329 14.275 4.088 1.00 1.34 C ATOM 770 O LEU A 45 3.014 14.069 3.083 1.00 1.34 O ATOM 771 CB LEU A 45 3.235 12.147 5.341 1.00 1.27 C ATOM 772 CG LEU A 45 4.133 11.552 6.469 1.00 1.30 C ATOM 773 CD1 LEU A 45 5.262 12.502 6.874 1.00 1.39 C ATOM 774 CD2 LEU A 45 3.386 11.151 7.739 1.00 1.29 C ATOM 0 H LEU A 45 1.270 12.848 6.717 1.00 1.32 H new ATOM 0 HA LEU A 45 3.606 14.240 5.735 1.00 1.32 H new ATOM 0 HB2 LEU A 45 2.349 11.518 5.262 1.00 1.27 H new ATOM 0 HB3 LEU A 45 3.780 12.049 4.402 1.00 1.27 H new ATOM 0 HG LEU A 45 4.533 10.647 6.012 1.00 1.30 H new ATOM 0 HD11 LEU A 45 5.859 12.043 7.662 1.00 1.39 H new ATOM 0 HD12 LEU A 45 5.895 12.704 6.010 1.00 1.39 H new ATOM 0 HD13 LEU A 45 4.837 13.437 7.239 1.00 1.39 H new ATOM 0 HD21 LEU A 45 4.092 10.748 8.465 1.00 1.29 H new ATOM 0 HD22 LEU A 45 2.891 12.025 8.161 1.00 1.29 H new ATOM 0 HD23 LEU A 45 2.641 10.393 7.499 1.00 1.29 H new ATOM 786 N GLY A 46 1.250 15.081 4.050 1.00 1.36 N ATOM 787 CA GLY A 46 0.957 15.943 2.872 1.00 1.42 C ATOM 788 C GLY A 46 -0.160 15.484 1.913 1.00 1.40 C ATOM 789 O GLY A 46 -0.172 15.844 0.732 1.00 1.44 O ATOM 0 H GLY A 46 0.571 15.158 4.807 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.698 16.936 3.238 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.875 16.046 2.294 1.00 1.42 H new ATOM 793 N GLY A 47 -1.086 14.688 2.444 1.00 1.34 N ATOM 794 CA GLY A 47 -2.096 13.980 1.659 1.00 1.32 C ATOM 795 C GLY A 47 -1.512 13.000 0.638 1.00 1.28 C ATOM 796 O GLY A 47 -0.305 12.956 0.384 1.00 1.27 O ATOM 0 H GLY A 47 -1.157 14.514 3.447 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -2.753 13.435 2.337 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.713 14.710 1.136 1.00 1.32 H new ATOM 800 N TYR A 48 -2.401 12.238 -0.004 1.00 1.27 N ATOM 801 CA TYR A 48 -2.027 11.388 -1.144 1.00 1.26 C ATOM 802 C TYR A 48 -1.281 12.144 -2.266 1.00 1.32 C ATOM 803 O TYR A 48 -0.546 11.533 -3.044 1.00 1.31 O ATOM 804 CB TYR A 48 -3.286 10.702 -1.683 1.00 1.28 C ATOM 805 CG TYR A 48 -3.015 9.524 -2.603 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.697 8.268 -2.053 1.00 1.20 C ATOM 807 CD2 TYR A 48 -3.091 9.680 -4.000 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.489 7.156 -2.892 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.865 8.576 -4.844 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.576 7.310 -4.292 1.00 1.27 C ATOM 811 OH TYR A 48 -2.386 6.246 -5.116 1.00 1.29 O ATOM 0 H TYR A 48 -3.389 12.190 0.245 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.316 10.646 -0.781 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -3.887 10.359 -0.841 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.883 11.438 -2.221 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -2.612 8.156 -0.982 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -3.323 10.646 -4.424 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.264 6.190 -2.466 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.913 8.698 -5.916 1.00 1.33 H new ATOM 0 HH TYR A 48 -2.484 6.533 -6.048 1.00 1.29 H new ATOM 821 N GLU A 49 -1.423 13.471 -2.348 1.00 1.39 N ATOM 822 CA GLU A 49 -0.808 14.258 -3.429 1.00 1.47 C ATOM 823 C GLU A 49 0.693 14.482 -3.218 1.00 1.46 C ATOM 824 O GLU A 49 1.482 14.207 -4.127 1.00 1.48 O ATOM 825 CB GLU A 49 -1.545 15.593 -3.585 1.00 1.57 C ATOM 826 CG GLU A 49 -2.896 15.379 -4.279 1.00 1.61 C ATOM 827 CD GLU A 49 -3.755 16.650 -4.245 1.00 1.71 C ATOM 828 OE1 GLU A 49 -3.449 17.630 -4.968 1.00 1.80 O ATOM 829 OE2 GLU A 49 -4.763 16.655 -3.499 1.00 1.72 O ATOM 0 H GLU A 49 -1.958 14.025 -1.680 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.905 13.682 -4.349 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.699 16.047 -2.606 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -0.936 16.286 -4.166 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -2.731 15.078 -5.314 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -3.431 14.564 -3.792 1.00 1.61 H new ATOM 836 N THR A 50 1.126 14.893 -2.016 1.00 1.44 N ATOM 837 CA THR A 50 2.557 14.919 -1.671 1.00 1.45 C ATOM 838 C THR A 50 3.128 13.503 -1.666 1.00 1.37 C ATOM 839 O THR A 50 4.240 13.284 -2.144 1.00 1.40 O ATOM 840 CB THR A 50 2.829 15.591 -0.317 1.00 1.46 C ATOM 841 OG1 THR A 50 2.296 16.900 -0.310 1.00 1.54 O ATOM 842 CG2 THR A 50 4.321 15.738 -0.009 1.00 1.50 C ATOM 0 H THR A 50 0.509 15.211 -1.269 1.00 1.44 H new ATOM 0 HA THR A 50 3.052 15.516 -2.437 1.00 1.45 H new ATOM 0 HB THR A 50 2.365 14.946 0.429 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.381 16.879 0.039 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.447 16.220 0.961 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.787 14.753 0.012 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.793 16.346 -0.780 1.00 1.50 H new ATOM 850 N ILE A 51 2.342 12.521 -1.213 1.00 1.30 N ATOM 851 CA ILE A 51 2.724 11.104 -1.286 1.00 1.24 C ATOM 852 C ILE A 51 3.049 10.664 -2.722 1.00 1.27 C ATOM 853 O ILE A 51 4.073 10.020 -2.942 1.00 1.27 O ATOM 854 CB ILE A 51 1.623 10.251 -0.597 1.00 1.18 C ATOM 855 CG1 ILE A 51 2.035 9.836 0.827 1.00 1.14 C ATOM 856 CG2 ILE A 51 1.202 9.002 -1.380 1.00 1.15 C ATOM 857 CD1 ILE A 51 2.029 11.009 1.819 1.00 1.17 C ATOM 0 H ILE A 51 1.429 12.682 -0.788 1.00 1.30 H new ATOM 0 HA ILE A 51 3.656 10.945 -0.743 1.00 1.24 H new ATOM 0 HB ILE A 51 0.757 10.912 -0.561 1.00 1.18 H new ATOM 0 HG12 ILE A 51 1.356 9.061 1.184 1.00 1.14 H new ATOM 0 HG13 ILE A 51 3.032 9.397 0.798 1.00 1.14 H new ATOM 0 HG21 ILE A 51 0.431 8.468 -0.825 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.810 9.298 -2.353 1.00 1.15 H new ATOM 0 HG23 ILE A 51 2.065 8.351 -1.519 1.00 1.15 H new ATOM 0 HD11 ILE A 51 2.328 10.653 2.805 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.728 11.774 1.482 1.00 1.17 H new ATOM 0 HD13 ILE A 51 1.026 11.433 1.875 1.00 1.17 H new ATOM 869 N THR A 52 2.226 11.035 -3.700 1.00 1.30 N ATOM 870 CA THR A 52 2.461 10.669 -5.109 1.00 1.35 C ATOM 871 C THR A 52 3.607 11.469 -5.725 1.00 1.42 C ATOM 872 O THR A 52 4.407 10.908 -6.479 1.00 1.45 O ATOM 873 CB THR A 52 1.172 10.841 -5.926 1.00 1.39 C ATOM 874 OG1 THR A 52 0.199 9.969 -5.393 1.00 1.34 O ATOM 875 CG2 THR A 52 1.321 10.454 -7.398 1.00 1.45 C ATOM 0 H THR A 52 1.385 11.592 -3.549 1.00 1.30 H new ATOM 0 HA THR A 52 2.756 9.620 -5.133 1.00 1.35 H new ATOM 0 HB THR A 52 0.907 11.897 -5.869 1.00 1.39 H new ATOM 0 HG1 THR A 52 -0.156 10.345 -4.561 1.00 1.34 H new ATOM 0 HG21 THR A 52 0.371 10.602 -7.911 1.00 1.45 H new ATOM 0 HG22 THR A 52 2.085 11.077 -7.863 1.00 1.45 H new ATOM 0 HG23 THR A 52 1.614 9.407 -7.471 1.00 1.45 H new ATOM 883 N ALA A 53 3.749 12.742 -5.351 1.00 1.47 N ATOM 884 CA ALA A 53 4.867 13.573 -5.796 1.00 1.55 C ATOM 885 C ALA A 53 6.235 13.159 -5.204 1.00 1.54 C ATOM 886 O ALA A 53 7.263 13.486 -5.806 1.00 1.61 O ATOM 887 CB ALA A 53 4.540 15.031 -5.447 1.00 1.61 C ATOM 0 H ALA A 53 3.095 13.223 -4.734 1.00 1.47 H new ATOM 0 HA ALA A 53 4.977 13.438 -6.872 1.00 1.55 H new ATOM 0 HB1 ALA A 53 5.359 15.675 -5.768 1.00 1.61 H new ATOM 0 HB2 ALA A 53 3.623 15.330 -5.955 1.00 1.61 H new ATOM 0 HB3 ALA A 53 4.406 15.126 -4.369 1.00 1.61 H new ATOM 893 N ARG A 54 6.262 12.456 -4.054 1.00 1.47 N ATOM 894 CA ARG A 54 7.526 12.229 -3.307 1.00 1.49 C ATOM 895 C ARG A 54 7.804 10.787 -2.852 1.00 1.44 C ATOM 896 O ARG A 54 8.897 10.529 -2.349 1.00 1.48 O ATOM 897 CB ARG A 54 7.548 13.154 -2.070 1.00 1.51 C ATOM 898 CG ARG A 54 7.481 14.667 -2.346 1.00 1.59 C ATOM 899 CD ARG A 54 8.693 15.221 -3.115 1.00 1.68 C ATOM 900 NE ARG A 54 9.970 15.002 -2.401 1.00 1.72 N ATOM 901 CZ ARG A 54 10.464 15.711 -1.400 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.848 16.747 -0.903 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.609 15.387 -0.871 1.00 1.82 N ATOM 0 H ARG A 54 5.437 12.039 -3.623 1.00 1.47 H new ATOM 0 HA ARG A 54 8.317 12.454 -4.023 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.709 12.886 -1.428 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.458 12.949 -1.506 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.575 14.882 -2.913 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.395 15.195 -1.396 1.00 1.59 H new ATOM 0 HD2 ARG A 54 8.744 14.747 -4.095 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.554 16.289 -3.284 1.00 1.68 H new ATOM 0 HE ARG A 54 10.534 14.213 -2.717 1.00 1.72 H new ATOM 0 HH11 ARG A 54 8.949 17.038 -1.287 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.265 17.266 -0.130 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.127 14.585 -1.229 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.988 15.936 -0.099 1.00 1.82 H new ATOM 917 N ARG A 55 6.857 9.850 -3.018 1.00 1.37 N ATOM 918 CA ARG A 55 6.884 8.487 -2.426 1.00 1.32 C ATOM 919 C ARG A 55 7.132 8.577 -0.917 1.00 1.31 C ATOM 920 O ARG A 55 8.064 8.008 -0.350 1.00 1.35 O ATOM 921 CB ARG A 55 7.834 7.548 -3.211 1.00 1.37 C ATOM 922 CG ARG A 55 7.701 7.645 -4.746 1.00 1.40 C ATOM 923 CD ARG A 55 6.284 7.383 -5.293 1.00 1.35 C ATOM 924 NE ARG A 55 5.913 8.354 -6.344 1.00 1.40 N ATOM 925 CZ ARG A 55 6.221 8.327 -7.626 1.00 1.46 C ATOM 926 NH1 ARG A 55 6.927 7.372 -8.164 1.00 1.49 N ATOM 927 NH2 ARG A 55 5.813 9.293 -8.394 1.00 1.51 N ATOM 0 H ARG A 55 6.024 10.017 -3.583 1.00 1.37 H new ATOM 0 HA ARG A 55 5.909 8.011 -2.529 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.863 7.776 -2.932 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.642 6.519 -2.906 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.018 8.639 -5.061 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.388 6.932 -5.201 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.232 6.372 -5.697 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.563 7.438 -4.477 1.00 1.35 H new ATOM 0 HE ARG A 55 5.347 9.146 -6.039 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.267 6.602 -7.588 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.140 7.395 -9.161 1.00 1.49 H new ATOM 0 HH21 ARG A 55 5.263 10.058 -8.003 1.00 1.51 H new ATOM 0 HH22 ARG A 55 6.043 9.286 -9.388 1.00 1.51 H new ATOM 941 N GLN A 56 6.240 9.351 -0.292 1.00 1.28 N ATOM 942 CA GLN A 56 6.369 9.712 1.124 1.00 1.29 C ATOM 943 C GLN A 56 5.820 8.622 2.073 1.00 1.24 C ATOM 944 O GLN A 56 5.892 8.795 3.288 1.00 1.25 O ATOM 945 CB GLN A 56 5.714 11.085 1.383 1.00 1.30 C ATOM 946 CG GLN A 56 6.477 11.962 2.395 1.00 1.37 C ATOM 947 CD GLN A 56 7.582 12.793 1.741 1.00 1.46 C ATOM 948 OE1 GLN A 56 8.844 12.445 1.875 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 7.327 13.795 1.090 1.00 1.51 N flip ATOM 0 H GLN A 56 5.415 9.742 -0.747 1.00 1.28 H new ATOM 0 HA GLN A 56 7.433 9.787 1.349 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.636 11.623 0.438 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.698 10.929 1.746 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.774 12.629 2.894 1.00 1.37 H new ATOM 0 HG3 GLN A 56 6.914 11.325 3.164 1.00 1.37 H new ATOM 0 HE21 GLN A 56 6.359 14.091 0.968 1.00 1.51 H new ATOM 0 HE22 GLN A 56 8.083 14.335 0.669 1.00 1.51 H new ATOM 958 N TRP A 57 5.317 7.485 1.562 1.00 1.19 N ATOM 959 CA TRP A 57 4.882 6.341 2.381 1.00 1.17 C ATOM 960 C TRP A 57 5.958 5.838 3.345 1.00 1.24 C ATOM 961 O TRP A 57 5.627 5.434 4.456 1.00 1.24 O ATOM 962 CB TRP A 57 4.375 5.180 1.518 1.00 1.15 C ATOM 963 CG TRP A 57 3.066 5.430 0.853 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.887 5.829 -0.424 1.00 1.11 C ATOM 965 CD2 TRP A 57 1.736 5.303 1.436 1.00 1.07 C ATOM 966 NE1 TRP A 57 1.538 5.983 -0.660 1.00 1.09 N ATOM 967 CE2 TRP A 57 0.780 5.689 0.452 1.00 1.07 C ATOM 968 CE3 TRP A 57 1.243 4.919 2.699 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -0.597 5.723 0.719 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -0.134 4.932 2.976 1.00 1.06 C ATOM 971 CH2 TRP A 57 -1.048 5.339 1.992 1.00 1.06 C ATOM 0 H TRP A 57 5.200 7.333 0.560 1.00 1.19 H new ATOM 0 HA TRP A 57 4.058 6.723 2.984 1.00 1.17 H new ATOM 0 HB2 TRP A 57 5.120 4.960 0.754 1.00 1.15 H new ATOM 0 HB3 TRP A 57 4.287 4.291 2.143 1.00 1.15 H new ATOM 0 HD1 TRP A 57 3.674 6.000 -1.144 1.00 1.11 H new ATOM 0 HE1 TRP A 57 1.146 6.280 -1.554 1.00 1.09 H new ATOM 0 HE3 TRP A 57 1.936 4.609 3.467 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -1.297 6.039 -0.040 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -0.490 4.628 3.949 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -2.105 5.357 2.215 1.00 1.06 H new ATOM 982 N LYS A 58 7.211 5.947 2.996 1.00 1.32 N ATOM 983 CA LYS A 58 8.240 5.537 3.922 1.00 1.42 C ATOM 984 C LYS A 58 8.223 6.445 5.168 1.00 1.43 C ATOM 985 O LYS A 58 8.633 6.031 6.252 1.00 1.51 O ATOM 986 CB LYS A 58 9.591 5.532 3.233 1.00 1.54 C ATOM 987 CG LYS A 58 9.698 4.477 2.139 1.00 1.98 C ATOM 988 CD LYS A 58 9.373 3.081 2.659 1.00 2.07 C ATOM 989 CE LYS A 58 10.312 2.651 3.775 1.00 2.58 C ATOM 990 NZ LYS A 58 9.898 1.356 4.377 1.00 2.89 N ATOM 0 H LYS A 58 7.543 6.307 2.101 1.00 1.32 H new ATOM 0 HA LYS A 58 8.044 4.519 4.259 1.00 1.42 H new ATOM 0 HB2 LYS A 58 9.776 6.515 2.801 1.00 1.54 H new ATOM 0 HB3 LYS A 58 10.370 5.358 3.975 1.00 1.54 H new ATOM 0 HG2 LYS A 58 9.018 4.728 1.325 1.00 1.98 H new ATOM 0 HG3 LYS A 58 10.706 4.484 1.725 1.00 1.98 H new ATOM 0 HD2 LYS A 58 8.346 3.061 3.023 1.00 2.07 H new ATOM 0 HD3 LYS A 58 9.435 2.366 1.839 1.00 2.07 H new ATOM 0 HE2 LYS A 58 11.325 2.562 3.383 1.00 2.58 H new ATOM 0 HE3 LYS A 58 10.335 3.420 4.547 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 10.563 1.097 5.134 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 8.941 1.448 4.773 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 9.901 0.617 3.646 1.00 2.89 H new ATOM 1004 N HIS A 59 7.758 7.692 4.990 1.00 1.39 N ATOM 1005 CA HIS A 59 7.634 8.658 6.092 1.00 1.40 C ATOM 1006 C HIS A 59 6.392 8.354 6.961 1.00 1.32 C ATOM 1007 O HIS A 59 6.398 8.605 8.163 1.00 1.35 O ATOM 1008 CB HIS A 59 7.641 10.087 5.549 1.00 1.43 C ATOM 1009 CG HIS A 59 8.954 10.449 4.911 1.00 1.58 C ATOM 1010 ND1 HIS A 59 9.692 9.805 3.970 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 9.664 11.586 5.233 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 10.821 10.551 3.749 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 10.780 11.622 4.523 1.00 1.79 N flip ATOM 0 H HIS A 59 7.460 8.056 4.085 1.00 1.39 H new ATOM 0 HA HIS A 59 8.499 8.560 6.748 1.00 1.40 H new ATOM 0 HB2 HIS A 59 6.841 10.199 4.817 1.00 1.43 H new ATOM 0 HB3 HIS A 59 7.430 10.783 6.361 1.00 1.43 H new ATOM 0 HD2 HIS A 59 9.357 12.331 5.952 1.00 1.59 H new ATOM 0 HE1 HIS A 59 11.613 10.304 3.057 1.00 1.93 H new ATOM 0 HE2 HIS A 59 11.490 12.353 4.566 1.00 1.79 H new ATOM 1022 N ILE A 60 5.303 7.874 6.333 1.00 1.23 N ATOM 1023 CA ILE A 60 4.118 7.398 7.061 1.00 1.20 C ATOM 1024 C ILE A 60 4.573 6.237 7.942 1.00 1.27 C ATOM 1025 O ILE A 60 4.269 6.253 9.124 1.00 1.33 O ATOM 1026 CB ILE A 60 2.947 7.024 6.127 1.00 1.15 C ATOM 1027 CG1 ILE A 60 2.364 8.328 5.534 1.00 1.14 C ATOM 1028 CG2 ILE A 60 1.863 6.227 6.883 1.00 1.18 C ATOM 1029 CD1 ILE A 60 1.331 8.109 4.428 1.00 1.14 C ATOM 0 H ILE A 60 5.222 7.806 5.318 1.00 1.23 H new ATOM 0 HA ILE A 60 3.710 8.199 7.678 1.00 1.20 H new ATOM 0 HB ILE A 60 3.309 6.382 5.324 1.00 1.15 H new ATOM 0 HG12 ILE A 60 1.903 8.904 6.336 1.00 1.14 H new ATOM 0 HG13 ILE A 60 3.181 8.930 5.138 1.00 1.14 H new ATOM 0 HG21 ILE A 60 1.051 5.978 6.199 1.00 1.18 H new ATOM 0 HG22 ILE A 60 2.297 5.310 7.281 1.00 1.18 H new ATOM 0 HG23 ILE A 60 1.474 6.830 7.704 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.973 9.074 4.068 1.00 1.14 H new ATOM 0 HD12 ILE A 60 1.790 7.562 3.605 1.00 1.14 H new ATOM 0 HD13 ILE A 60 0.492 7.535 4.822 1.00 1.14 H new ATOM 1238 N THR A 77 1.523 -0.678 2.353 1.00 1.35 N ATOM 1239 CA THR A 77 0.488 0.188 2.918 1.00 1.39 C ATOM 1240 C THR A 77 -0.175 1.055 1.841 1.00 1.34 C ATOM 1241 O THR A 77 -1.364 1.369 1.935 1.00 1.38 O ATOM 1242 CB THR A 77 1.068 1.093 4.028 1.00 1.41 C ATOM 1243 OG1 THR A 77 1.787 0.299 4.979 1.00 1.48 O ATOM 1244 CG2 THR A 77 -0.035 1.859 4.744 1.00 1.49 C ATOM 0 HA THR A 77 -0.271 -0.464 3.350 1.00 1.39 H new ATOM 0 HB THR A 77 1.742 1.810 3.559 1.00 1.41 H new ATOM 0 HG1 THR A 77 2.222 -0.449 4.519 1.00 1.48 H new ATOM 0 HG21 THR A 77 0.403 2.487 5.520 1.00 1.49 H new ATOM 0 HG22 THR A 77 -0.567 2.485 4.028 1.00 1.49 H new ATOM 0 HG23 THR A 77 -0.732 1.154 5.198 1.00 1.49 H new ATOM 1252 N ARG A 78 0.596 1.437 0.819 1.00 1.27 N ATOM 1253 CA ARG A 78 0.076 2.249 -0.284 1.00 1.25 C ATOM 1254 C ARG A 78 -0.966 1.460 -1.071 1.00 1.30 C ATOM 1255 O ARG A 78 -1.964 2.001 -1.548 1.00 1.29 O ATOM 1256 CB ARG A 78 1.216 2.665 -1.226 1.00 1.25 C ATOM 1257 CG ARG A 78 0.735 3.393 -2.474 1.00 1.33 C ATOM 1258 CD ARG A 78 1.888 3.786 -3.386 1.00 1.40 C ATOM 1259 NE ARG A 78 1.447 4.684 -4.455 1.00 1.56 N ATOM 1260 CZ ARG A 78 2.112 5.773 -4.837 1.00 1.92 C ATOM 1261 NH1 ARG A 78 3.260 6.099 -4.259 1.00 2.01 N ATOM 1262 NH2 ARG A 78 1.623 6.542 -5.802 1.00 2.42 N ATOM 0 H ARG A 78 1.583 1.196 0.733 1.00 1.27 H new ATOM 0 HA ARG A 78 -0.386 3.143 0.136 1.00 1.25 H new ATOM 0 HB2 ARG A 78 1.909 3.308 -0.684 1.00 1.25 H new ATOM 0 HB3 ARG A 78 1.773 1.777 -1.525 1.00 1.25 H new ATOM 0 HG2 ARG A 78 0.042 2.754 -3.021 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.183 4.286 -2.182 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.667 4.273 -2.799 1.00 1.40 H new ATOM 0 HD3 ARG A 78 2.330 2.890 -3.822 1.00 1.40 H new ATOM 0 HE ARG A 78 0.576 4.462 -4.937 1.00 1.56 H new ATOM 0 HH11 ARG A 78 3.641 5.514 -3.515 1.00 2.01 H new ATOM 0 HH12 ARG A 78 3.762 6.935 -4.558 1.00 2.01 H new ATOM 0 HH21 ARG A 78 0.739 6.299 -6.250 1.00 2.42 H new ATOM 0 HH22 ARG A 78 2.131 7.376 -6.096 1.00 2.42 H new ATOM 1276 N ARG A 79 -0.703 0.169 -1.176 1.00 1.37 N ATOM 1277 CA ARG A 79 -1.551 -0.776 -1.894 1.00 1.45 C ATOM 1278 C ARG A 79 -2.882 -1.049 -1.184 1.00 1.48 C ATOM 1279 O ARG A 79 -3.872 -1.374 -1.837 1.00 1.54 O ATOM 1280 CB ARG A 79 -0.800 -2.086 -2.186 1.00 1.52 C ATOM 1281 CG ARG A 79 0.506 -1.864 -2.975 1.00 1.51 C ATOM 1282 CD ARG A 79 1.192 -3.184 -3.351 1.00 1.59 C ATOM 1283 NE ARG A 79 0.433 -3.935 -4.374 1.00 1.67 N ATOM 1284 CZ ARG A 79 0.719 -5.134 -4.847 1.00 1.76 C ATOM 1285 NH1 ARG A 79 1.751 -5.815 -4.434 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -0.033 -5.680 -5.760 1.00 1.82 N ATOM 0 H ARG A 79 0.121 -0.263 -0.758 1.00 1.37 H new ATOM 0 HA ARG A 79 -1.801 -0.302 -2.843 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -0.570 -2.585 -1.245 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -1.451 -2.754 -2.750 1.00 1.52 H new ATOM 0 HG2 ARG A 79 0.288 -1.299 -3.882 1.00 1.51 H new ATOM 0 HG3 ARG A 79 1.189 -1.259 -2.379 1.00 1.51 H new ATOM 0 HD2 ARG A 79 2.195 -2.977 -3.724 1.00 1.59 H new ATOM 0 HD3 ARG A 79 1.305 -3.800 -2.459 1.00 1.59 H new ATOM 0 HE ARG A 79 -0.397 -3.480 -4.753 1.00 1.67 H new ATOM 0 HH11 ARG A 79 2.369 -5.424 -3.723 1.00 1.79 H new ATOM 0 HH12 ARG A 79 1.941 -6.739 -4.822 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -0.849 -5.181 -6.114 1.00 1.82 H new ATOM 0 HH22 ARG A 79 0.194 -6.607 -6.121 1.00 1.82 H new ATOM 1300 N HIS A 80 -2.920 -0.875 0.138 1.00 1.47 N ATOM 1301 CA HIS A 80 -4.148 -0.885 0.930 1.00 1.50 C ATOM 1302 C HIS A 80 -4.916 0.435 0.752 1.00 1.44 C ATOM 1303 O HIS A 80 -6.086 0.408 0.375 1.00 1.48 O ATOM 1304 CB HIS A 80 -3.807 -1.184 2.401 1.00 1.52 C ATOM 1305 CG HIS A 80 -3.032 -2.472 2.591 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -2.063 -2.707 3.543 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -3.153 -3.629 1.858 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -1.615 -3.965 3.390 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -2.248 -4.570 2.370 1.00 1.74 N ATOM 0 H HIS A 80 -2.081 -0.720 0.698 1.00 1.47 H new ATOM 0 HA HIS A 80 -4.811 -1.676 0.579 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -3.226 -0.356 2.807 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -4.731 -1.237 2.977 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -3.829 -3.786 1.030 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -0.853 -4.425 4.001 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -2.100 -5.522 2.036 1.00 1.74 H new ATOM 1318 N TYR A 81 -4.261 1.595 0.911 1.00 1.35 N ATOM 1319 CA TYR A 81 -4.891 2.920 0.790 1.00 1.29 C ATOM 1320 C TYR A 81 -5.589 3.132 -0.560 1.00 1.32 C ATOM 1321 O TYR A 81 -6.689 3.690 -0.603 1.00 1.34 O ATOM 1322 CB TYR A 81 -3.824 4.003 1.035 1.00 1.21 C ATOM 1323 CG TYR A 81 -4.336 5.434 1.180 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -4.795 6.152 0.053 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -4.302 6.074 2.435 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.234 7.483 0.184 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -4.671 7.428 2.555 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.154 8.137 1.434 1.00 1.12 C ATOM 1329 OH TYR A 81 -5.570 9.426 1.576 1.00 1.11 O ATOM 0 H TYR A 81 -3.266 1.641 1.130 1.00 1.35 H new ATOM 0 HA TYR A 81 -5.676 2.989 1.543 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -3.273 3.743 1.939 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -3.113 3.976 0.210 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -4.809 5.676 -0.916 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -3.991 5.523 3.310 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.633 8.006 -0.673 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -4.584 7.926 3.509 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.349 9.584 1.002 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.016 2.628 -1.665 1.00 1.34 N ATOM 1340 CA GLU A 82 -5.553 2.810 -3.013 1.00 1.39 C ATOM 1341 C GLU A 82 -6.846 2.017 -3.259 1.00 1.50 C ATOM 1342 O GLU A 82 -7.475 2.178 -4.307 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.487 2.560 -4.092 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.149 1.091 -4.324 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.311 0.910 -5.601 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -3.896 0.976 -6.711 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.081 0.676 -5.505 1.00 1.46 O ATOM 0 H GLU A 82 -4.158 2.077 -1.642 1.00 1.34 H new ATOM 0 HA GLU A 82 -5.839 3.859 -3.091 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.832 2.992 -5.031 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.576 3.089 -3.813 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -3.600 0.701 -3.467 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.069 0.511 -4.404 1.00 1.46 H new ATOM 1354 N ARG A 83 -7.251 1.178 -2.288 1.00 1.53 N ATOM 1355 CA ARG A 83 -8.571 0.531 -2.295 1.00 1.64 C ATOM 1356 C ARG A 83 -9.394 0.775 -1.023 1.00 1.64 C ATOM 1357 O ARG A 83 -10.570 0.415 -1.006 1.00 1.73 O ATOM 1358 CB ARG A 83 -8.425 -0.983 -2.555 1.00 1.73 C ATOM 1359 CG ARG A 83 -7.811 -1.357 -3.910 1.00 1.75 C ATOM 1360 CD ARG A 83 -8.671 -0.921 -5.107 1.00 1.81 C ATOM 1361 NE ARG A 83 -8.011 -1.262 -6.382 1.00 1.84 N ATOM 1362 CZ ARG A 83 -7.022 -0.597 -6.955 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.637 0.575 -6.549 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -6.364 -1.110 -7.953 1.00 1.82 N ATOM 0 H ARG A 83 -6.675 0.932 -1.483 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.128 0.998 -3.107 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -7.810 -1.413 -1.764 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -9.410 -1.445 -2.480 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -6.825 -0.899 -3.993 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -7.665 -2.437 -3.950 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -9.645 -1.407 -5.056 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -8.848 0.154 -5.061 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.351 -2.091 -6.869 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -7.103 1.019 -5.758 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.869 1.051 -7.022 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.609 -2.036 -8.303 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.603 -0.586 -8.386 1.00 1.82 H new ATOM 1378 N LEU A 84 -8.814 1.402 0.006 1.00 1.56 N ATOM 1379 CA LEU A 84 -9.437 1.471 1.331 1.00 1.57 C ATOM 1380 C LEU A 84 -9.789 2.909 1.750 1.00 1.51 C ATOM 1381 O LEU A 84 -10.505 3.098 2.725 1.00 1.54 O ATOM 1382 CB LEU A 84 -8.453 0.789 2.299 1.00 1.56 C ATOM 1383 CG LEU A 84 -8.954 0.563 3.726 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -10.191 -0.326 3.781 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -7.856 -0.105 4.549 1.00 1.61 C ATOM 0 H LEU A 84 -7.910 1.871 -0.055 1.00 1.56 H new ATOM 0 HA LEU A 84 -10.399 0.959 1.334 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -8.172 -0.176 1.878 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -7.546 1.392 2.346 1.00 1.56 H new ATOM 0 HG LEU A 84 -9.218 1.542 4.127 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -10.503 -0.452 4.818 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -10.998 0.138 3.214 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -9.958 -1.300 3.351 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -8.211 -0.267 5.567 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -7.596 -1.063 4.099 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -6.975 0.537 4.570 1.00 1.61 H new ATOM 1397 N ILE A 85 -9.321 3.916 1.003 1.00 1.44 N ATOM 1398 CA ILE A 85 -9.810 5.299 1.165 1.00 1.41 C ATOM 1399 C ILE A 85 -9.590 6.184 -0.062 1.00 1.39 C ATOM 1400 O ILE A 85 -10.365 7.114 -0.243 1.00 1.42 O ATOM 1401 CB ILE A 85 -9.275 5.953 2.452 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.027 7.275 2.735 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -7.759 6.165 2.405 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -10.014 7.693 4.206 1.00 1.33 C ATOM 0 H ILE A 85 -8.608 3.805 0.282 1.00 1.44 H new ATOM 0 HA ILE A 85 -10.892 5.211 1.265 1.00 1.41 H new ATOM 0 HB ILE A 85 -9.464 5.267 3.278 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -9.581 8.070 2.138 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.061 7.171 2.406 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -7.427 6.629 3.334 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -7.261 5.203 2.281 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -7.508 6.814 1.566 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -10.561 8.628 4.323 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -10.487 6.918 4.809 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -8.984 7.831 4.536 1.00 1.33 H new ATOM 1416 N LEU A 86 -8.654 5.874 -0.966 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.581 6.533 -2.278 1.00 1.39 C ATOM 1418 C LEU A 86 -9.948 6.584 -3.017 1.00 1.49 C ATOM 1419 O LEU A 86 -10.273 7.647 -3.557 1.00 1.52 O ATOM 1420 CB LEU A 86 -7.482 5.854 -3.108 1.00 1.37 C ATOM 1421 CG LEU A 86 -7.239 6.432 -4.513 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -6.883 7.922 -4.484 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -6.102 5.688 -5.203 1.00 1.40 C ATOM 0 H LEU A 86 -7.933 5.168 -0.814 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.321 7.581 -2.127 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.548 5.907 -2.549 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.732 4.798 -3.210 1.00 1.37 H new ATOM 0 HG LEU A 86 -8.174 6.308 -5.059 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -6.722 8.278 -5.502 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -7.700 8.482 -4.029 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.974 8.068 -3.901 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -5.942 6.108 -6.196 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -5.190 5.790 -4.614 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -6.359 4.633 -5.293 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.799 5.527 -3.005 1.00 1.58 N ATOM 1436 CA PRO A 87 -12.156 5.615 -3.555 1.00 1.69 C ATOM 1437 C PRO A 87 -13.167 6.409 -2.701 1.00 1.71 C ATOM 1438 O PRO A 87 -14.213 6.781 -3.242 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.618 4.164 -3.748 1.00 1.78 C ATOM 1440 CG PRO A 87 -11.834 3.396 -2.690 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.499 4.132 -2.673 1.00 1.59 C ATOM 0 HA PRO A 87 -12.120 6.183 -4.484 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.693 4.063 -3.603 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -12.397 3.803 -4.752 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.327 3.426 -1.718 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -11.715 2.345 -2.955 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.026 4.058 -1.694 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -9.807 3.700 -3.395 1.00 1.59 H new ATOM 1449 N TYR A 88 -12.899 6.695 -1.414 1.00 1.63 N ATOM 1450 CA TYR A 88 -13.857 7.395 -0.536 1.00 1.66 C ATOM 1451 C TYR A 88 -13.471 8.849 -0.207 1.00 1.59 C ATOM 1452 O TYR A 88 -14.361 9.690 -0.127 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.184 6.543 0.706 1.00 1.68 C ATOM 1454 CG TYR A 88 -15.549 5.856 0.659 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.029 5.261 -0.529 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -16.351 5.813 1.818 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.292 4.640 -0.558 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -17.620 5.201 1.792 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.094 4.608 0.602 1.00 2.05 C ATOM 1460 OH TYR A 88 -19.314 4.005 0.566 1.00 2.17 O ATOM 0 H TYR A 88 -12.021 6.451 -0.956 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.780 7.506 -1.106 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -13.412 5.783 0.823 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.141 7.180 1.590 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.422 5.283 -1.422 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -15.989 6.254 2.735 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -17.648 4.187 -1.471 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -18.230 5.186 2.683 1.00 1.97 H new ATOM 0 HH TYR A 88 -19.737 4.070 1.448 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.185 9.230 -0.168 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.789 10.657 -0.124 1.00 1.46 C ATOM 1472 C GLU A 89 -12.345 11.453 -1.332 1.00 1.53 C ATOM 1473 O GLU A 89 -12.433 12.679 -1.292 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.262 10.842 0.018 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.434 10.445 -1.216 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.979 10.948 -1.112 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.164 10.338 -0.381 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.644 11.958 -1.783 1.00 1.29 O ATOM 0 H GLU A 89 -11.401 8.578 -0.166 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.244 11.071 0.776 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.059 11.888 0.250 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -9.919 10.254 0.870 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -9.437 9.360 -1.323 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.898 10.855 -2.113 1.00 1.35 H new ATOM 1485 N ARG A 90 -12.803 10.720 -2.358 1.00 1.61 N ATOM 1486 CA ARG A 90 -13.563 11.293 -3.477 1.00 1.71 C ATOM 1487 C ARG A 90 -14.766 12.150 -3.041 1.00 1.78 C ATOM 1488 O ARG A 90 -15.018 13.170 -3.682 1.00 1.83 O ATOM 1489 CB ARG A 90 -13.971 10.142 -4.417 1.00 1.78 C ATOM 1490 CG ARG A 90 -14.504 10.633 -5.769 1.00 1.89 C ATOM 1491 CD ARG A 90 -14.733 9.450 -6.717 1.00 1.97 C ATOM 1492 NE ARG A 90 -15.204 9.901 -8.040 1.00 2.08 N ATOM 1493 CZ ARG A 90 -15.307 9.168 -9.135 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -15.002 7.899 -9.154 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -15.724 9.700 -10.248 1.00 2.25 N ATOM 0 H ARG A 90 -12.656 9.713 -2.434 1.00 1.61 H new ATOM 0 HA ARG A 90 -12.921 11.998 -4.005 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.110 9.495 -4.585 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -14.735 9.536 -3.930 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -15.438 11.176 -5.623 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -13.795 11.332 -6.214 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -13.805 8.889 -6.832 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -15.465 8.770 -6.281 1.00 1.97 H new ATOM 0 HE ARG A 90 -15.479 10.880 -8.118 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -14.671 7.441 -8.305 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -15.094 7.365 -10.018 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -15.974 10.689 -10.279 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -15.801 9.128 -11.089 1.00 2.25 H new ATOM 1509 N PHE A 91 -15.466 11.824 -1.942 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.514 12.716 -1.402 1.00 1.84 C ATOM 1511 C PHE A 91 -15.942 13.943 -0.664 1.00 1.78 C ATOM 1512 O PHE A 91 -16.557 15.008 -0.679 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.553 11.958 -0.546 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.111 11.425 0.810 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.883 12.299 1.896 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -16.976 10.036 1.014 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.428 11.799 3.128 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.513 9.540 2.242 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.208 10.423 3.287 1.00 1.70 C ATOM 0 H PHE A 91 -15.331 10.962 -1.414 1.00 1.78 H new ATOM 0 HA PHE A 91 -17.045 13.104 -2.271 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.400 12.624 -0.383 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.918 11.115 -1.133 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.059 13.358 1.779 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.231 9.350 0.220 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.248 12.474 3.952 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.391 8.476 2.382 1.00 1.76 H new ATOM 0 HZ PHE A 91 -15.804 10.044 4.214 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.744 13.831 -0.074 1.00 1.67 N ATOM 1530 CA ILE A 92 -14.105 14.956 0.641 1.00 1.62 C ATOM 1531 C ILE A 92 -13.564 15.972 -0.373 1.00 1.64 C ATOM 1532 O ILE A 92 -13.733 17.180 -0.223 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.969 14.446 1.567 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.475 13.341 2.528 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.365 15.616 2.369 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.394 12.691 3.398 1.00 1.43 C ATOM 0 H ILE A 92 -14.193 12.973 -0.075 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.851 15.445 1.268 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.194 14.011 0.935 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.236 13.769 3.181 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -13.961 12.564 1.939 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.570 15.243 3.014 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.957 16.356 1.681 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.141 16.077 2.980 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -12.848 11.932 4.035 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.643 12.227 2.759 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -11.922 13.451 4.020 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.963 15.459 -1.449 1.00 1.63 N ATOM 1549 CA LYS A 93 -12.256 16.278 -2.443 1.00 1.66 C ATOM 1550 C LYS A 93 -13.143 16.695 -3.626 1.00 1.78 C ATOM 1551 O LYS A 93 -12.713 17.469 -4.482 1.00 1.82 O ATOM 1552 CB LYS A 93 -11.038 15.447 -2.871 1.00 1.58 C ATOM 1553 CG LYS A 93 -9.909 16.274 -3.497 1.00 1.58 C ATOM 1554 CD LYS A 93 -8.591 15.493 -3.452 1.00 1.49 C ATOM 1555 CE LYS A 93 -8.642 14.214 -4.297 1.00 1.50 C ATOM 1556 NZ LYS A 93 -7.401 13.426 -4.132 1.00 1.41 N ATOM 0 H LYS A 93 -12.952 14.461 -1.658 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.950 17.232 -2.014 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -10.648 14.918 -2.001 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -11.360 14.690 -3.586 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -10.159 16.521 -4.529 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -9.799 17.217 -2.961 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -7.782 16.130 -3.810 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -8.360 15.234 -2.419 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -9.502 13.612 -4.003 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -8.778 14.472 -5.347 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -7.381 12.659 -4.834 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -6.576 14.044 -4.271 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -7.372 13.020 -3.175 1.00 1.41 H new ATOM 1570 N GLY A 94 -14.387 16.207 -3.638 1.00 1.84 N ATOM 1571 CA GLY A 94 -15.365 16.523 -4.684 1.00 1.97 C ATOM 1572 C GLY A 94 -16.637 17.202 -4.164 1.00 2.05 C ATOM 1573 O GLY A 94 -17.335 17.832 -4.955 1.00 2.15 O ATOM 0 H GLY A 94 -14.746 15.579 -2.919 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -14.895 17.172 -5.422 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -15.641 15.603 -5.199 1.00 1.97 H new ATOM 1577 N GLU A 95 -16.934 17.122 -2.856 1.00 2.00 N ATOM 1578 CA GLU A 95 -18.172 17.666 -2.260 1.00 2.08 C ATOM 1579 C GLU A 95 -17.981 18.303 -0.865 1.00 2.02 C ATOM 1580 O GLU A 95 -18.934 18.444 -0.093 1.00 2.07 O ATOM 1581 CB GLU A 95 -19.283 16.588 -2.235 1.00 2.13 C ATOM 1582 CG GLU A 95 -19.658 16.016 -3.608 1.00 2.21 C ATOM 1583 CD GLU A 95 -20.868 15.072 -3.501 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -22.028 15.541 -3.617 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -20.674 13.845 -3.314 1.00 2.26 O ATOM 0 H GLU A 95 -16.319 16.675 -2.175 1.00 2.00 H new ATOM 0 HA GLU A 95 -18.479 18.487 -2.909 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -18.960 15.769 -1.592 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -20.176 17.017 -1.780 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -19.888 16.831 -4.295 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -18.808 15.477 -4.026 1.00 2.21 H new ATOM 1592 N GLU A 96 -16.756 18.731 -0.534 1.00 1.94 N ATOM 1593 CA GLU A 96 -16.456 19.468 0.709 1.00 1.90 C ATOM 1594 C GLU A 96 -15.247 20.428 0.613 1.00 1.87 C ATOM 1595 O GLU A 96 -15.352 21.582 1.028 1.00 1.92 O ATOM 1596 CB GLU A 96 -16.268 18.475 1.877 1.00 1.82 C ATOM 1597 CG GLU A 96 -16.241 19.179 3.238 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.210 18.159 4.393 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.296 17.743 4.870 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.105 17.783 4.850 1.00 1.68 O ATOM 0 H GLU A 96 -15.937 18.577 -1.122 1.00 1.94 H new ATOM 0 HA GLU A 96 -17.318 20.110 0.891 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -17.077 17.744 1.864 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -15.338 17.924 1.737 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.366 19.827 3.298 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -17.118 19.818 3.337 1.00 1.81 H new ATOM 1607 N ASP A 97 -14.134 19.943 0.077 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.938 20.760 -0.069 1.00 1.78 C ATOM 1609 C ASP A 97 -12.140 20.336 -1.293 1.00 1.87 C ATOM 1610 O ASP A 97 -11.608 19.228 -1.347 1.00 2.33 O ATOM 1611 CB ASP A 97 -12.060 20.662 1.181 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.847 21.570 1.106 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.018 22.802 1.225 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -9.727 21.049 0.927 1.00 2.20 O ATOM 0 H ASP A 97 -14.036 18.987 -0.264 1.00 1.80 H new ATOM 0 HA ASP A 97 -13.255 21.795 -0.198 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.652 20.922 2.059 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -11.732 19.631 1.312 1.00 1.78 H new